# generated using pymatgen data_Li4Fe3(NiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90999400 _cell_length_b 5.95663467 _cell_length_c 6.58299717 _cell_angle_alpha 103.42601834 _cell_angle_beta 102.72591991 _cell_angle_gamma 90.68578032 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Fe3(NiO4)3 _chemical_formula_sum 'Li4 Fe3 Ni3 O12' _cell_volume 219.38788055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.82847300 0.83925500 0.34012000 1.0 Li Li1 1 0.17152700 0.16074500 0.65988000 1.0 Li Li2 1 0.50000000 0.50000000 0.00000000 1.0 Li Li3 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe4 1 0.16641200 0.66941500 0.66517000 1.0 Fe Fe5 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe6 1 0.83358800 0.33058500 0.33483000 1.0 Ni Ni7 1 0.66496900 0.66998200 0.66356200 1.0 Ni Ni8 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni9 1 0.33503100 0.33001800 0.33643800 1.0 O O10 1 0.24078900 0.74409100 0.97498800 1.0 O O11 1 0.59691300 0.09507800 0.31173700 1.0 O O12 1 0.73451500 0.77382000 0.98946600 1.0 O O13 1 0.06266900 0.11215200 0.32936000 1.0 O O14 1 0.39560800 0.44844200 0.65777300 1.0 O O15 1 0.93109800 0.43369300 0.65454500 1.0 O O16 1 0.40308700 0.90492200 0.68826300 1.0 O O17 1 0.93733100 0.88784800 0.67064000 1.0 O O18 1 0.26548500 0.22618000 0.01053400 1.0 O O19 1 0.60439200 0.55155800 0.34222700 1.0 O O20 1 0.75921100 0.25590900 0.02501200 1.0 O O21 1 0.06890200 0.56630700 0.34545500 1.0